[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol

C19H23N5O — CID 129275581

IUPAC[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol
SMILESCNc1cnc2nc(N3CC[C@@H](CO)C3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H23N5O/c1-20-16-9-17-18(21-10-16)22-19(23-8-7-15(11-23)13-25)24(17)12-14-5-3-2-4-6-14/h2-6,9-10,15,20,25H,7-8,11-13H2,1H3/t15-/m1/s1
InChIKeyADZDIDOMQIDPIH-OAHLLOKOSA-N
MW337.43 g/mol
LogP2.34
Rot. Bonds5

About [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol

[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 129275581) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol
PubChem CID129275581
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol
SMILESCNc1cnc2nc(N3CC[C@@H](CO)C3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H23N5O/c1-20-16-9-17-18(21-10-16)22-19(23-8-7-15(11-23)13-25)24(17)12-14-5-3-2-4-6-14/h2-6,9-10,15,20,25H,7-8,11-13H2,1H3/t15-/m1/s1
InChIKeyADZDIDOMQIDPIH-OAHLLOKOSA-N
XLogP2.34
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine
CID 129275575
N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide
CID 129274837
N-[1-benzyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
CID 129248512
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
1-[1-[(4-fluoro-3-methylphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-amine
CID 150154096
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
4-[[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
CID 97169609
[1-[3-(methylamino)quinoxalin-2-yl]pyrrolidin-3-yl]methanol
CID 71648040
8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 129275418
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol
CID 71649983
[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 112626014

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol (CID 129275581) is [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol is CNc1cnc2nc(N3CC[C@@H](CO)C3)n(Cc3ccccc3)c2c1.
What is the InChIKey of [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is ADZDIDOMQIDPIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-20-16-9-17-18(21-10-16)22-19(23-8-7-15(11-23)13-25)24(17)12-14-5-3-2-4-6-14/h2-6,9-10,15,20,25H,7-8,11-13H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol?
[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 337.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 129275581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).